New Data on the Structure of Fe(III) tris-Dipivaloylmethanate in the Range of 90–365 K

IF 1.2 4区化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Structural Chemistry Pub Date : 2024-07-09 DOI:10.1134/s0022476624060143

D. V. Kochelakov, P. A. Stabnikov, A. S. Sukhikh, D. P. Pishchur, S. A. Gromilov

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Abstract

Single crystals of Fe(dpm)₃ (dpm - dipivaloylmethanate) are analyzed by X-ray diffraction in the temperature range of 90-365 K. A new crystal modification is found in the range of 90-100 K (space group \(P\bar{1}\), Z = 8); a phase transition is confirmed to occur at 230 K (space group \(P\bar{1}\), Z = 4). In the range of 250-365 K, a relative increase in the monoclinic unit cell parameters (space group C2/c, Z = 8) is Δa/a = 0.67%, Δb/b = 1.16%, and Δc/c = 0.47%; β angle decreases by 3.3%. In the range of 90-365 K, a relative increase in the molecular volume is 6.65%, with average Fe–O distances and chelate angles ∠O–Fe–O being almost unchanged. Hirshfeld surfaces are constructed for the structures at 90 K, 130 K, 250 K, and 365 K. The Fe(dpm)₃ layers obtained by physical vapor deposition (PVD) and crystallization during spin coating on different inorganic substrates are studied, orientation is determined, and structural features are analyzed in [1 0 0] and [0 0 1] directions.

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关于 90-365 K 范围内三-二特戊酰甲酸铁（III）结构的新数据

摘要通过 X 射线衍射分析了 Fe(dpm)3（dpm - 二新戊酰甲酸酯）在 90-365 K 温度范围内的单晶体。在 90-100 K 范围内发现了一种新的晶体变化（空间群 \(P\bar{1}\)，Z = 8）；相变被证实发生在 230 K 时（空间群 \(P\bar{1}\)，Z = 4）。在 250-365 K 的范围内，单斜单胞参数（空间群 C2/c，Z = 8）相对增加了 Δa/a = 0.67%，Δb/b = 1.16%，Δc/c = 0.47%；β 角减小了 3.3%。在 90-365 K 的范围内，分子体积相对增加了 6.65%，而平均 Fe-O 距离和螯合角 ∠O-Fe-O 几乎没有变化。研究了在不同无机基底上通过物理气相沉积 (PVD) 和旋涂过程中结晶获得的 Fe(dpm)3 层，确定了取向，并分析了 [1 0 0] 和 [0 0 1] 方向上的结构特征。

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来源期刊

Journal of Structural Chemistry 化学-无机化学与核化学

CiteScore

1.60

自引率

12.50%

发文量

142

审稿时长

8.3 months

期刊介绍： Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.